ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate

C25H25F2NO4 — CID 58293999

IUPACethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate
SMILESCCOC(=O)CNCc1cccc(COc2ccc(-c3cc(F)c(F)cc3OC)cc2)c1
InChIInChI=1S/C25H25F2NO4/c1-3-31-25(29)15-28-14-17-5-4-6-18(11-17)16-32-20-9-7-19(8-10-20)21-12-22(26)23(27)13-24(21)30-2/h4-13,28H,3,14-16H2,1-2H3
InChIKeyROEIWYIMINTARL-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.87
Rot. Bonds10

About ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate

ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate (PubChem CID 58293999) has the molecular formula C25H25F2NO4 and a molecular weight of 441.47 g/mol. Its IUPAC name is ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate
PubChem CID58293999
Molecular FormulaC25H25F2NO4
Molecular Weight441.47 g/mol
Exact Mass441.18
IUPAC Nameethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate
SMILESCCOC(=O)CNCc1cccc(COc2ccc(-c3cc(F)c(F)cc3OC)cc2)c1
InChIInChI=1S/C25H25F2NO4/c1-3-31-25(29)15-28-14-17-5-4-6-18(11-17)16-32-20-9-7-19(8-10-20)21-12-22(26)23(27)13-24(21)30-2/h4-13,28H,3,14-16H2,1-2H3
InChIKeyROEIWYIMINTARL-UHFFFAOYSA-N
XLogP4.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate with MolForge

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Related Compounds

2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methyl-propanoylamino]acetic acid
CID 58293926
2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methyl-(3-methoxypropanoyl)amino]acetic acid
CID 58293992
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
2-[tert-butyl-[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]benzoyl]amino]acetic acid
CID 52933305
ethyl 2-[[5-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-1,2-benzoxazol-3-yl]-(2-methoxyethyl)amino]acetate
CID 67151376
2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methyl-(1-methylpiperidine-4-carbonyl)amino]acetic acid
CID 53240908
ethyl 2-[(3-aminophenyl)methylamino]acetate
CID 22569795
ethyl 2-[(3-propoxyphenyl)methylamino]acetate
CID 54901935
ethyl 2-[(3-fluoro-4-methylphenyl)methylamino]acetate
CID 60721361
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate
CID 118176686
3-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]benzaldehyde
CID 58293982

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate?
The IUPAC name of ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate (CID 58293999) is ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate?
The canonical SMILES for ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate is CCOC(=O)CNCc1cccc(COc2ccc(-c3cc(F)c(F)cc3OC)cc2)c1.
What is the InChIKey of ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate?
The InChIKey is ROEIWYIMINTARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO4/c1-3-31-25(29)15-28-14-17-5-4-6-18(11-17)16-32-20-9-7-19(8-10-20)21-12-22(26)23(27)13-24(21)30-2/h4-13,28H,3,14-16H2,1-2H3.
What are the key properties of ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate?
ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate has a molecular weight of 441.47 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]methylamino]acetate is sourced from PubChem (CID 58293999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).